4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile

C8H14N2O — CID 123481160

IUPAC4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(CN)CC1O
InChIInChI=1S/C8H14N2O/c9-4-6-1-2-7(5-10)8(11)3-6/h6-8,11H,1-4,9H2
InChIKeyMWWHZPZIZMBTFV-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.25
Rot. Bonds1

About 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile

4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile (PubChem CID 123481160) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
PubChem CID123481160
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(CN)CC1O
InChIInChI=1S/C8H14N2O/c9-4-6-1-2-7(5-10)8(11)3-6/h6-8,11H,1-4,9H2
InChIKeyMWWHZPZIZMBTFV-UHFFFAOYSA-N
XLogP0.25
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile (CID 123481160) is 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile is N#CC1CCC(CN)CC1O.
What is the InChIKey of 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile?
The InChIKey is MWWHZPZIZMBTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-4-6-1-2-7(5-10)8(11)3-6/h6-8,11H,1-4,9H2.
What are the key properties of 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile?
4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 123481160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).